potassium hydrogen oxalate

• ChemBase ID: 129067
• Molecular Formular: C2HKO4
• Molecular Mass: 128.12524
• Monoisotopic Mass: 127.95119019
• SMILES: C(=O)(C(=O)[O-])O.[K+]
• Canonical SMILES: OC(=O)C(=O)[O-].[K+]
• InChI: InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
• InChIKey: JMTCDHVHZSGGJA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium hydrogen oxalate
• IUPAC Traditional name: potassium hydrogen oxalate
• Synonyms: Potassium bioxalate; Potassium hydrogenoxalate

Database IDs

• CAS Number: 127-95-7
• PubChem SID: 162223367
• PubChem CID: 23662386
• Wikipedia Title: Potassium_hydrogenoxalate

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 25.2757 cm^3
• Polarizability: 5.748779 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.5 g/100 g in water; slightly soluble in alcohol
• Apperance: White crystalline solid
• Density: 2.0 g/cm^3
• Odor: odorless